Chemical Properties of Cyclohexene, 3,3,5-trimethyl- (CAS 503-45-7)

InChI

InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4,6,8H,5,7H2,1-3H3

InChI Key

GQVLBFQEABXQDC-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC1CC=CC(C)(C)C1

Molecular Weight¹

124.22

CAS

503-45-7

Other Names

• «epsilon»-Cyclogeraniolene
• 3,3,5-Trimethylcyclohexene
• 3,5,5-Trimethyl-1-cyclohexene
• 3,3,5-Trimethyl-1-cyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	66.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-122.09	kJ/mol	Joback Calculated Property
ΔfusH°	6.90	kJ/mol	Joback Calculated Property
ΔvapH°	34.89	kJ/mol	Joback Calculated Property
log10WS	-2.85		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Pc	2989.32	kPa	Joback Calculated Property
I	1633.00		NIST
Tboil	[404.44; 404.48]	K
Tboil	404.44 ± 0.20	K	NIST
Tboil	404.48 ± 0.20	K	NIST
Tc	629.34	K	Joback Calculated Property
Tfus	[187.72; 187.91]	K
Tfus	187.91 ± 0.30	K	NIST
Tfus	187.72 ± 0.30	K	NIST
Tfus	187.76 ± 0.30	K	NIST
Vc	0.456	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.29; 336.03]	J/mol×K	[419.60; 629.34]
Cp,gas	242.29	J/mol×K	419.60	Joback Calculated Property
Cp,gas	260.61	J/mol×K	454.56	Joback Calculated Property
Cp,gas	277.72	J/mol×K	489.51	Joback Calculated Property
Cp,gas	293.72	J/mol×K	524.47	Joback Calculated Property
Cp,gas	308.70	J/mol×K	559.43	Joback Calculated Property
Cp,gas	322.78	J/mol×K	594.39	Joback Calculated Property
Cp,gas	336.03	J/mol×K	629.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 3,3,5-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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